p-Methyl benzaldehyde - ≥97% , CAS No.104-87-0

CAS: 104-87-0 Cat. No.: M105910 Molecular Weight: 120.15 Beilstein Registry Number: 385772 EC Number: 203-246-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
CAS-104-87-0 | 4-methylbenzaldehyde;p-Tolualdehyde | p-Tolualdehyde | p-tolu-aldehyde | TOLUALDEHYDE, P- | Benzaldehyde, 4-methyl- | FEMA NO. 3068, P- | PTAL | p-Tolualdehyde, 97% | p-Tolylaldehyde | CHEBI:28617 | SCHEMBL29171 | C06758 | EN300-20307 | p-m
Storage
Argon charged,Room temperature
Shipped In
Normal
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Status
Price
Qty
25ml
M105910-25ml
9
$12.90
100ml
M105910-100ml
3
$21.90
500ml
M105910-500ml
6

$61.90

$89.90
Save $28.00 (31.15%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 31 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
CAS-104-87-0 | 4-methylbenzaldehyde;p-Tolualdehyde | p-Tolualdehyde | p-tolu-aldehyde | TOLUALDEHYDE, P- | Benzaldehyde, 4-methyl- | FEMA NO. 3068, P- | PTAL | p-Tolualdehyde, 97% | p-Tolylaldehyde | CHEBI:28617 | SCHEMBL29171 | C06758 | EN300-20307 | p-m
Specifications & Purity
≥97%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488180541
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180541
Canonical SmilesCC1=CC=C(C=C1)C=O
IUPAC Name4-methylbenzaldehyde
InChIKeyFXLOVSHXALFLKQ-UHFFFAOYSA-N
INCHI1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
Isomeric SMILES CC1=CC=C(C=C1)C=O
WGK Germany 1
RTECS CU7034500
UN Number 1988
Molecular Weight 120.15
Beilstein 385772
Reaxy-Rn 385772
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385772&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoyl derivatives
Alternative Parents Benzaldehydes  Toluenes  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzoyl - Benzaldehyde - Aryl-aldehyde - Toluene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors an aryl aldehyde
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SLC6A1 Tclin GABA transporter 1 (308 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cyp2a5 Cytochrome P450 2A5 (126 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

16 results found

Lot NumberCertificate TypeDateItem
I2221038Certificate of AnalysisMar 10, 2026 M105910
F2527025Certificate of AnalysisJul 02, 2025 M105910
E2508029Certificate of AnalysisMay 10, 2025 M105910
E2508031Certificate of AnalysisMay 10, 2025 M105910
I2406201Certificate of AnalysisSep 10, 2024 M105910
E2406150Certificate of AnalysisMar 21, 2024 M105910
E2117196Certificate of AnalysisFeb 13, 2023 M105910
E2117197Certificate of AnalysisFeb 13, 2023 M105910
D2303715Certificate of AnalysisFeb 13, 2023 M105910
H2223035Certificate of AnalysisSep 01, 2022 M105910
D2303690Certificate of AnalysisSep 01, 2022 M105910
D2430009Certificate of AnalysisMay 24, 2021 M105910
E2117201Certificate of AnalysisMay 24, 2021 M105910
E2628056Certificate of AnalysisMay 24, 2021 M105910
I2221039Certificate of AnalysisMay 24, 2021 M105910
I2420024Certificate of AnalysisMay 24, 2021 M105910

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Chemical and Physical Properties
SolubilitySlightly soluble in water, easily soluble in alcohol and ether.
SensitivityAir Sensitive
Refractive Index1.542-1.548
Flash Point(°F)161.6 °F
Flash Point(°C)80℃
Boil Point(°C)204-205°C
Melt Point(°C)-6°C
Molecular Weight120.150 g/mol
XLogP32.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass120.058 Da
Monoisotopic Mass120.058 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.700
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
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19. Lianqing Chen, Zhongda Wu, Yanting Du, Yufeng Huang, Shiwei Jin.  (2019)  Solvothermal synthesis of novel phenylpyrazole Schiff base fluorescent insecticides fused extended conjugate units for enhancing bioactivities, photophysical and electrochemical properties.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2019.06.093]
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